CID 5492914

5-o-ethyldihydromorphine

Structural Information

Molecular Formula
C19H25NO3
SMILES
CCO[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C
InChI
InChI=1S/C19H25NO3/c1-3-22-15-7-5-12-13-10-11-4-6-14(21)17-16(11)19(12,18(15)23-17)8-9-20(13)2/h4,6,12-13,15,18,21H,3,5,7-10H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey
QPTNOARPVIMLCB-SSTWWWIQSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-7-ethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 174.8
[M+Na]+ 338.17266 186.3
[M+NH4]+ 333.21726 186.1
[M+K]+ 354.14660 179.0
[M-H]- 314.17616 178.2
[M+Na-2H]- 336.15811 175.0
[M]+ 315.18289 177.6
[M]- 315.18399 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.